SCHEMBL12296265

SCHEMBL12296265

Cc1cc(Nc2nccc3nc(-c4ccccc4C(F)(F)F)[nH]c23)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.47
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 8/20 0.38
CYP3A4 P08684 6/20 0.38
CYP2C19 P33261 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NPY5R Q15761 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
PTGES O14684 1/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2371051 0.89 TYK2 (0.41) TYK2HDAC6POLBGAATRPV1
SCHEMBL14869050 0.86 TYK2 (0.39) TYK2POLBGAATRPV1
SCHEMBL2372638 0.85 TYK2 (0.45) TYK2POLBGAATRPA1
SCHEMBL2372988 0.85 TYK2 (0.62) TYK2ALDH1A1POLBGAAPTGES
SCHEMBL12295612 0.80 TYK2 (0.45) TYK2CYP3A4POLBGAA
SCHEMBL2372121 0.79 TYK2 (0.43) TYK2POLBGAANPY5RPTGES
SCHEMBL12294563 0.77 TYK2 (0.55) TYK2POLBGAA
SCHEMBL12295626 0.76 TYK2 (0.48) TYK2POLBGAA
SCHEMBL2371706 0.75 TYK2 (0.48) TYK2PTGES
SCHEMBL12294570 0.74 TYK2 (0.47) TYK2POLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 TYK2 1/4885HDAC3 1311/4885HDAC7 1644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.